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- PDB-6wtu: Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound ... -

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Basic information

Entry
Database: PDB / ID: 6wtu
TitlePlasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 273264
Components
  • 273264 Fab heavy chain
  • 273264 Fab light chain
  • reticulocyte binding protein 2b
KeywordsCELL INVASION / invasion / plasmodium vivax / malaria / antibody complex
Function / homologyNBD94 domain / Nucleotide-Binding Domain 94 of RH / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / Reticulocyte binding protein 2, putative
Function and homology information
Biological speciesPlasmodium vivax (malaria parasite P. vivax)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.55 Å
AuthorsChan, L.J. / Dietrich, M.H. / Tham, W.H.
Funding support Australia, 4items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia)APP1160042 Australia
National Health and Medical Research Council (NHMRC, Australia)APP1143187 Australia
National Health and Medical Research Council (NHMRC, Australia)APP1154937 Australia
Wellcome Trust208693/Z/17/Z Australia
CitationJournal: Nat Commun / Year: 2021
Title: Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Authors: Chan, L.J. / Gandhirajan, A. / Carias, L.L. / Dietrich, M.H. / Vadas, O. / Visentin, R. / Franca, C.T. / Menant, S. / Soldati-Favre, D. / Mueller, I. / King, C.L. / Tham, W.H.
History
DepositionMay 4, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 27, 2021Provider: repository / Type: Initial release
Revision 1.1Apr 7, 2021Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: reticulocyte binding protein 2b
K: 273264 Fab heavy chain
L: 273264 Fab light chain
B: 273264 Fab heavy chain
E: 273264 Fab heavy chain
I: 273264 Fab light chain
H: 273264 Fab heavy chain
G: reticulocyte binding protein 2b
C: 273264 Fab light chain
F: 273264 Fab light chain
J: reticulocyte binding protein 2b
D: reticulocyte binding protein 2b


Theoretical massNumber of molelcules
Total (without water)340,45912
Polymers340,45912
Non-polymers00
Water7,062392
1
A: reticulocyte binding protein 2b
B: 273264 Fab heavy chain
C: 273264 Fab light chain


Theoretical massNumber of molelcules
Total (without water)85,1153
Polymers85,1153
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
K: 273264 Fab heavy chain
L: 273264 Fab light chain
J: reticulocyte binding protein 2b


Theoretical massNumber of molelcules
Total (without water)85,1153
Polymers85,1153
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: 273264 Fab heavy chain
F: 273264 Fab light chain
D: reticulocyte binding protein 2b


Theoretical massNumber of molelcules
Total (without water)85,1153
Polymers85,1153
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
I: 273264 Fab light chain
H: 273264 Fab heavy chain
G: reticulocyte binding protein 2b


Theoretical massNumber of molelcules
Total (without water)85,1153
Polymers85,1153
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)93.988, 99.506, 103.487
Angle α, β, γ (deg.)114.720, 104.980, 89.810
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
reticulocyte binding protein 2b


Mass: 36519.789 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Plasmodium vivax (strain Salvador I) (eukaryote)
Strain: Salvador I / Gene: PVX_094255 / Plasmid: pET32a(+) / Production host: Escherichia coli (E. coli) / Strain (production host): SHuffle T7 / References: UniProt: A5K736
#2: Antibody
273264 Fab heavy chain


Mass: 25216.195 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Expi293 / Production host: Homo sapiens (human)
#3: Antibody
273264 Fab light chain


Mass: 23378.729 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Expi293 / Production host: Homo sapiens (human)
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 392 / Source method: isolated from a natural source / Formula: H2O
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.48 Å3/Da / Density % sol: 50.34 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop / pH: 6
Details: 0.1 M sodium cacodylate pH 6.0, 0.1 M magnesium chloride, 15 % (w/v) PEG 4,000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 20, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.54→49.031 Å / Num. obs: 105015 / % possible obs: 97.5 % / Redundancy: 3.626 % / Biso Wilson estimate: 54.552 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.092 / Rrim(I) all: 0.108 / Χ2: 0.947 / Net I/σ(I): 9.92 / Num. measured all: 380763
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsCC1/2Rrim(I) all% possible all
2.54-2.73.5540.7291.675806517365163400.6870.85894.1
2.7-2.883.4950.4532.635583516324159750.8450.53897.9
2.88-3.113.7570.2824.45600115204149050.9330.32998
3.11-3.413.7430.1627.385148013979137550.9760.18998.4
3.41-3.813.6270.09211.974515212682124480.9910.10898.2
3.81-4.393.4610.06116.293782111148109290.9960.07398
4.39-5.373.8030.04921.6735565945593530.9970.05798.9
5.37-7.553.5960.05219.7226138734872690.9960.06298.9
7.55-49.0313.640.03132.7114705414840400.9980.03697.4

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Processing

Software
NameVersionClassification
PHENIX1.15_3459refinement
XSCALEdata scaling
PDB_EXTRACT3.25data extraction
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5W53

5w53


Resolution: 2.55→49.031 Å / SU ML: 0.39 / Cross valid method: THROUGHOUT / σ(F): 1.97 / Phase error: 30.06 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2547 5240 5 %
Rwork0.2082 99533 -
obs0.2106 104773 98.4 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 118.01 Å2 / Biso mean: 55.5336 Å2 / Biso min: 19.92 Å2
Refinement stepCycle: final / Resolution: 2.55→49.031 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms22128 0 0 392 22520
Biso mean---46.73 -
Num. residues----2898
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.55-2.5790.38061720.3136325898
2.579-2.60930.34121760.2971335398
2.6093-2.64110.37431720.2938326498
2.6411-2.67460.33531770.2907336298
2.6746-2.70980.3321710.2766324898
2.7098-2.74690.36761750.3056332697
2.7469-2.78610.38341730.2954328698
2.7861-2.82770.34311710.2826326798
2.8277-2.87190.3211780.2607337098
2.8719-2.9190.34221730.2493330398
2.919-2.96930.29361740.2527329598
2.9693-3.02330.32061740.2509331798
3.0233-3.08140.31781750.2488330698
3.0814-3.14430.26771770.2309336499
3.1443-3.21260.31621730.2487330099
3.2126-3.28740.28041750.246331599
3.2874-3.36960.29511750.2306333199
3.3696-3.46060.28591750.2204331699
3.4606-3.56240.24681770.21336398
3.5624-3.67740.2681720.2068327598
3.6774-3.80880.24511750.2066333398
3.8088-3.96120.25441740.2044329498
3.9612-4.14140.23781760.1905335398
4.1414-4.35960.20451730.1699328199
4.3596-4.63260.20621760.1545334099
4.6326-4.98990.17841770.1592336999
4.9899-5.49150.20721770.1642336499
5.4915-6.28470.26341760.2022334199
6.2847-7.91270.2281750.1946333299

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